[HTML] nature.comFull View

[HTML][HTML] Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, C Oord, A Bochkarev, S Menon… - npj computational …, 2021 - nature.com
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …
被引用次数：126 相关文章

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, C Oord, A Bochkarev, S Menon… - npj Computational …, 2021 - osti.gov
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, C Oord, A Bochkarev, S Menon… - 2021 - hss-opus.ub.ruhr-unibochum.de
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …

Performant implementation of the atomic cluster expansion (PACE): Application to copper and silicon

Y Lysogorskiy, C van der Oord, A Bochkarev… - arXiv preprint arXiv …, 2021 - arxiv.org
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

L Yury, B Anton, M Sarath, R Matteo… - NPJ Computational …, 2021 - search.proquest.com
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, C Oord, A Bochkarev… - npj Computational …, 2021 - ui.adsabs.harvard.edu
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, C Oord, A Bochkarev, S Menon… - 2021 - repository.cam.ac.uk
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, C Oord, A Bochkarev, S Menon… - 2021 - hss-opus.ub.ruhr-uni-bochum.de
The atomic cluster expansion is a general polynomial expansion of the atomic energy in
multi-atom basis functions. Here we implement the atomic cluster expansion in the …
[PDF] academia.edu

[PDF][PDF] Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, C van der Oord, A Bochkarev, S Menon… - academia.edu
Atomistic modeling and simulation requires efficient computation of energies and forces. In
recent years, machine learning (ML)-based interatomic potentials, parameterized to large …

[引用][C] Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Y Lysogorskiy, A Bochkarev, S Menon… - npj Computational …, 2021 - elibrary.ru